Geometry & MOs

Info

ID:	373474
PubChem CID:	131315892
Reduced:	BrISO2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	395.83166
ΔH_f, kcal/mol:	-27.61
Dipole, Da:	4.78
IP(EA), eV:	-9.44(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethyl)-5-iodo-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=C(S2)C(=O)O)I)CBr

DOS

IR

Vibrations